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• W2076465154 abstract "We present an overview of the current status of experimental, theoretical, molecular dynamics (MD), and density functional theory (DFT) studies of argon vapor-to-liquid nucleation. Since the experimental temperature-supersaturation domain does not overlap with the corresponding MD and DFT domains, separate comparisons have been made: theory versus experiment and theory versus MD and DFT. Three general theoretical models are discussed: Classical nucleation theory (CNT), mean-field kinetic nucleation theory (MKNT), and extended modified liquid drop model-dynamical nucleation theory (EMLD-DNT). The comparisons are carried out for the area below the MKNT pseudospinodal line. The agreement for the nucleation rate between the nonclassical models and the MD simulations is very good--within 1-2 orders of magnitude--while the CNT deviates from simulations by about 3-5 orders of magnitude. Perfect agreement is demonstrated between DFT results and predictions of MKNT (within one order of magnitude), whereas CNT and EMLD-DNT show approximately the same deviation of about 3-5 orders of magnitude. At the same time the agreement between all theoretical models and experiment remains poor--4-8 orders of magnitude for MKNT, 12-14 orders for EMLD-DNT, and up to 26 orders for CNT. We discuss possible reasons for this discrepancy and the ways to carry out experiment and simulations within the common temperature-supersaturation domain in order to produce a unified picture of argon nucleation." @default.
• W2076465154 created "2016-06-24" @default.
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• W2076465154 date "2008-03-25" @default.
• W2076465154 modified "2023-10-16" @default.
• W2076465154 title "Argon nucleation: Bringing together theory, simulations, and experiment" @default.
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• W2076465154 doi "https://doi.org/10.1063/1.2888995" @default.
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